Chemical Properties of Pyridine, 4-(methylthio)- (CAS 22581-72-2)

InChI

InChI=1S/C6H7NS/c1-8-6-2-4-7-5-3-6/h2-5H,1H3

InChI Key

XCHSSZMKKXPBAI-UHFFFAOYSA-N

Formula

C6H7NS

SMILES

CSc1ccncc1

Molecular Weight¹

125.19

CAS

22581-72-2

Other Names

• 4-(Methylthio)pyridine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	955.20	kJ/mol	NIST
BasG	923.30	kJ/mol	NIST
IE	[8.73; 9.00]	eV
IE	9.00 ± 0.02	eV	NIST
IE	8.73 ± 0.03	eV	NIST
log10WS	-1.98		Crippen Calculated Property
logPoct/wat	1.804		Crippen Calculated Property
McVol	97.970	ml/mol	McGowan Calculated Property
I	1796.00		NIST

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Pyridine, 4-(methylthio)-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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